SC01-0258 Screening compound: N-(2-{5-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N,3-dimethylbenzamide

SC01-0258 Screening compound: N-(2-{5-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N,3-dimethylbenzamide
SC01-0258 Screening compound: N-(2-{5-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N,3-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC01-0258
N-(2-{5-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N,3-dimethylbenzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

SC01-0258

Molecular Formula

C23H27N5O3 (C23 H27 N5 O3)

Compound Name

N-(2-{5-[1-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1,2,4-oxadiazol-3-yl}ethyl)-N,3-dimethylbenzamide

IUPAC name

N-(2-{5-[1-(cyclopropylmethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]-124-oxadiazol-3-yl}ethyl)-N3-dimethylbenzamide

SMILES

Cc1cccc(C(N(C)CCc2noc(-c3nn(CC4CC4)c4c3COCC4)n2)=O)c1

InChI

InChI=1S/C23H27N5O3/c1-15-4-3-5-17(12-15)23(29)27(2)10-8-20-24-22(31-26-20)21-18-14-30-11-9-19(18)28(25-21)13-16-6-7-16/h3-5,12,16H,6-11,13-14H2,1-2H3

InChI Key

KNSMOHVXMVHHDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32252519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.191

Distribution Coefficient, logD

2.191

Water Solubility, LogSw

-2.44

Polar Surface Area

72.346

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

SC01-0258 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC01-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC01-0258?
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What is the minimum amount of SC01-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC01-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC01-0258
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of SC01-0258 available by request